Dear Martin,
which configuration of the pseudo are you using? in Ho I expect the
contribution to the magnetism comes from the f-electrons and using the spdf
pseudos I do get a magnetic GS
from AFM starting configuration
! total energy = -2925.66359219 Ry
total magnetization = -1.19 Bohr mag/cell
absolute magnetization = 7.53 Bohr mag/cell
convergence has been achieved in 57 iterations
HTH!
Chris
---
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
